2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-2-cyclopropylpropan-1-ol

C14H24N2OS — CID 111977158

IUPAC2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-2-cyclopropylpropan-1-ol
SMILESCC(C)(C)c1nc(CNC(C)(CO)C2CC2)cs1
InChIInChI=1S/C14H24N2OS/c1-13(2,3)12-16-11(8-18-12)7-15-14(4,9-17)10-5-6-10/h8,10,15,17H,5-7,9H2,1-4H3
InChIKeyKSQSLOCOHPZBHB-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.69
Rot. Bonds5

About 2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-2-cyclopropylpropan-1-ol

2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-2-cyclopropylpropan-1-ol (PubChem CID 111977158) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-2-cyclopropylpropan-1-ol.

Molecular Properties

Compound Name2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-2-cyclopropylpropan-1-ol
PubChem CID111977158
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-2-cyclopropylpropan-1-ol
SMILESCC(C)(C)c1nc(CNC(C)(CO)C2CC2)cs1
InChIInChI=1S/C14H24N2OS/c1-13(2,3)12-16-11(8-18-12)7-15-14(4,9-17)10-5-6-10/h8,10,15,17H,5-7,9H2,1-4H3
InChIKeyKSQSLOCOHPZBHB-UHFFFAOYSA-N
XLogP2.69
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-2,3-dimethylbutan-2-ol
CID 113362922
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-3-ethylpentan-3-amine
CID 113243337
3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 110922256
3-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-2,2-difluoropropan-1-ol
CID 104857684
methyl 2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-2-methylpropanoate
CID 115609824
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-(oxan-3-yl)methanamine
CID 115592245
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 115586406
4-[[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 79529638
2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-N-methylacetamide
CID 47285247
6-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]hexan-1-ol
CID 103924140
3-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]butan-1-ol
CID 111436836
(1R)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-cyclohexylethanamine
CID 104862931

Frequently Asked Questions

What is the IUPAC name of 2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-2-cyclopropylpropan-1-ol?
The IUPAC name of 2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-2-cyclopropylpropan-1-ol (CID 111977158) is 2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-2-cyclopropylpropan-1-ol.
What is the SMILES notation for 2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-2-cyclopropylpropan-1-ol?
The canonical SMILES for 2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-2-cyclopropylpropan-1-ol is CC(C)(C)c1nc(CNC(C)(CO)C2CC2)cs1.
What is the InChIKey of 2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-2-cyclopropylpropan-1-ol?
The InChIKey is KSQSLOCOHPZBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-13(2,3)12-16-11(8-18-12)7-15-14(4,9-17)10-5-6-10/h8,10,15,17H,5-7,9H2,1-4H3.
What are the key properties of 2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-2-cyclopropylpropan-1-ol?
2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-2-cyclopropylpropan-1-ol has a molecular weight of 268.43 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-2-cyclopropylpropan-1-ol is sourced from PubChem (CID 111977158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).